N-[[4-[2-(2-methylpropanoylamino)ethylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide

Systemtic Name: N-[[4-[2-(2-methylpropanoylamino)ethylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide Openeye Name: N-[[4-[2-(2-methylpropanoylamino)ethylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide CAS Name: N-[[4-[[2-[(2-methyl-1-oxopropyl)amino]ethylamino]-oxomethyl]phenyl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[4-[2-(2-methylpropanoylamino)ethylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide Traditional Name: N-[4-[2-(isobutyrylamino)ethylcarbamoyl]benzyl]adamantane-1-carboxamide Formula: C25H35N3O3 MolecularWeight: 425.5637

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NCCNC(=O)C1=CC=C(C=C1)CNC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(C)C(=O)NCCNC(=O)C1=CC=C(C=C1)CNC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C25H35N3O3/c1-16(2)22(29)26-7-8-27-23(30)21-5-3-17(4-6-21)15-28-24(31)25-12-18-9-19(13-25)11-20(10-18)14-25/h3-6,16,18-20H,7-15H2,1-2H3,(H,26,29)(H,27,30)(H,28,31)